TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 338.495 | Formula: C14H22N6S2
H donors: 3 H acceptors: 2 LogP: 1.78 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: N=C(NCCCc1nc[nH]c1)SCCSCc1nc[nH]c1C
InChi: 1S/C14H22N6S2/c1-11-13(20-10-18-11)8-21-5-6-22-14(15)17-4-2-3-12-7-16-9-19-12/h7,9-10H,2-6,8H2,1H3,(H2,15,17)(H,16,19)(H,18,20)
InChiKey: LULHDJGDSCRDNW-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0028	0.0011	0.0025
Echinococcus granulosus	protein arginine methyltransferase	0.0031	0.0033	0.0074
Trypanosoma cruzi	transcription elongation factor s-II, putative	0.004	0.0092	0.0854
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0263	0.1506
Echinococcus granulosus	histone lysine N methyltransferase H3 lysine 36	0.0052	0.0169	0.0384
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0074	0.0168
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0028	0.0013	0.003
Brugia malayi	Pre-SET motif family protein	0.0162	0.089	0.088
Schistosoma mansoni	phd finger protein	0.004	0.0092	0.0209
Schistosoma mansoni	hepatoma derived growth factor	0.004	0.0092	0.0209
Leishmania major	hypothetical protein, conserved	0.0034	0.0051	0.0177
Echinococcus granulosus	histone lysine N methyltransferase Ez	0.02	0.1137	0.2587
Plasmodium vivax	histone-lysine N-methyltransferase, putative	0.0083	0.0372	0.3362
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0031	0.0033	0.0074
Echinococcus multilocularis	protein arginine methyltransferase	0.0031	0.0033	0.0074
Entamoeba histolytica	arginine N-methyltransferase 1, putative	0.0047	0.0139	0.048
Toxoplasma gondii	histone arginine methyltransferase PRMT1	0.0031	0.0033	0.0063
Echinococcus granulosus	DNA methyltransferase 2, putative	0.0189	0.1062	0.2417
Echinococcus multilocularis	microtubule associated protein 2	0.07	0.4396	1
Schistosoma mansoni	histone J3 methyltransferase	0.0266	0.1564	0.3557
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0092	0.0854
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.0459	0.1043
Onchocerca volvulus		0.004	0.0092	0.0079
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0237	0.1376	0.313
Brugia malayi	Carm1-pending protein	0.0165	0.0906	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0109	0.054	0.054
Toxoplasma gondii	bicoid-interacting protein BIN3	0.0047	0.0139	0.0726
Loa Loa (eye worm)	PWWP domain-containing protein	0.004	0.0092	0.0092
Brugia malayi	CXXC zinc finger family protein	0.0138	0.073	0.072
Trypanosoma brucei	transcription elongation factor s-II, putative	0.004	0.0092	0.0408
Echinococcus multilocularis	DNA methyltransferase 2, putative	0.0189	0.1062	0.2417
Echinococcus multilocularis	S adenosylmethionine decarboxylase proenzyme	0.0108	0.0534	0.1215
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.156	1	1
Loa Loa (eye worm)	S-adenosylmethionine decarboxylase proenzyme	0.0108	0.0534	0.0534
Loa Loa (eye worm)	SET domain-containing protein	0.02	0.1137	0.1137
Schistosoma mansoni	DNA (cytosine-5)-methyltransferase	0.0189	0.1062	0.2417
Schistosoma mansoni	hypothetical protein	0.0171	0.0945	0.215
Onchocerca volvulus		0.1388	0.8876	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0188	0.1059	0.2409
Schistosoma mansoni	protein arginine n-methyltransferase	0.0165	0.0906	0.206
Trypanosoma brucei	S-adenosylmethionine decarboxylase proenzyme, putative	0.0108	0.0534	0.4778
Echinococcus multilocularis	histone lysine n methyltransferase setb1	0.0034	0.0053	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0078	0.034	0.034
Loa Loa (eye worm)	SET domain-containing protein	0.0136	0.0718	0.0718
Trypanosoma cruzi	protein arginine n-methyltransferase 7	0.0047	0.0139	0.1817
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0227	0.0227
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.033	0.075
Echinococcus granulosus	microtubule associated protein 2	0.07	0.4396	1
Schistosoma mansoni	hypothetical protein	0.004	0.0092	0.0209
Brugia malayi	Histone-lysine N-methyltransferase, H3 lysine-79 specific	0.0266	0.1564	0.1555
Schistosoma mansoni	microtubule-associated protein tau	0.07	0.4396	1
Loa Loa (eye worm)	hypothetical protein	0.156	1	1
Echinococcus granulosus	histone lysine n methyltransferase suv420h1	0.0136	0.0718	0.1633
Brugia malayi	hypothetical protein	0.004	0.0092	0.0081
Brugia malayi	Bromodomain containing protein	0.0029	0.0022	0.0012
Trichomonas vaginalis	set domain proteins, putative	0.1388	0.8876	1
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0022	0.0022
Toxoplasma gondii	histone arginine methyltransferase PRMT5	0.0067	0.0267	0.1531
Trypanosoma cruzi	transcription elongation factor-like protein, putative	0.004	0.0092	0.0854
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0073	0.0306	0.0697
Plasmodium falciparum	S-adenosylmethionine decarboxylase/ornithine decarboxylase	0.0053	0.0173	0.0943
Toxoplasma gondii	DNA methyltransferase 2, putative	0.0189	0.1062	0.65
Brugia malayi	SET domain containing protein	0.0121	0.0616	0.0606
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0128	0.0667	0.1518
Plasmodium vivax	S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative	0.0053	0.0173	0.1451
Onchocerca volvulus		0.004	0.0092	0.0079
Echinococcus granulosus	protein arginine N methyltransferase 8	0.0031	0.0033	0.0074
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0047	0.0139	0.012
Schistosoma mansoni	hypothetical protein	0.0171	0.0945	0.215
Entamoeba histolytica	hypothetical protein	0.0078	0.034	0.2559
Schistosoma mansoni	disco-interacting protein 2 (dip2)	0.0125	0.0646	0.147
Echinococcus granulosus	histone lysine n methyltransferase setb1	0.0034	0.0053	0.0121
Plasmodium falciparum	protein arginine N-methyltransferase 1	0.0031	0.0033	0.0063
Plasmodium vivax	protein arginine N-methyltransferase 5, putative	0.0067	0.0267	0.2355
Brugia malayi	Skb1 methyltransferase family protein	0.0067	0.0267	0.0257
Entamoeba histolytica	DNA (cytosine-5)-methyltransferase, putative	0.0189	0.1062	1
Schistosoma mansoni	hypothetical protein	0.004	0.0092	0.0209
Trypanosoma brucei	S-adenosylmethionine decarboxylase	0.0108	0.0534	0.4778
Schistosoma mansoni	cpg binding protein	0.0138	0.073	0.1661
Echinococcus multilocularis	hepatoma derived growth factor protein	0.004	0.0092	0.0209
Loa Loa (eye worm)	hypothetical protein	0.156	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0188	0.1059	0.2409
Plasmodium vivax	SET domain protein, putative	0.0128	0.0667	0.62
Brugia malayi	SET domain containing protein	0.0028	0.0012	0.0002
Echinococcus multilocularis	geminin	0.0171	0.0945	0.215
Schistosoma mansoni	enhancer of zeste ezh	0.02	0.1137	0.2587
Leishmania major	arginine N-methyltransferase, type I	0.0047	0.0139	0.103
Brugia malayi	SET domain containing protein	0.02	0.1137	0.1127
Brugia malayi	SET domain containing protein	0.0136	0.0718	0.0708
Loa Loa (eye worm)	Carm1-pending protein	0.0165	0.0906	0.0906
Echinococcus multilocularis	histone lysine N methyltransferase E(z)	0.02	0.1137	0.2587
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0128	0.0667	0.1518
Toxoplasma gondii	histone arginine methyltransferase PRMT4/CARM1	0.0165	0.0906	0.5521
Brugia malayi	PWWP domain containing protein	0.004	0.0092	0.0081
Onchocerca volvulus		0.0237	0.1376	0.1529
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0098	0.0222
Echinococcus multilocularis	histone lysine N methyltransferase, H3 lysine 36	0.0052	0.0169	0.0384
Onchocerca volvulus		0.0131	0.0682	0.0745
Echinococcus multilocularis	histone lysine n methyltransferase suv420h1	0.0136	0.0718	0.1633
Schistosoma mansoni	suppressor of variegation 4-20-related	0.0136	0.0718	0.1633
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0022	0.0051
Onchocerca volvulus		0.0138	0.073	0.0799
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0047	0.0139	0.012
Echinococcus granulosus	protein arginine N methyltransferase 7	0.0047	0.0139	0.0315
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.1271	0.8117	0.8117
Echinococcus multilocularis	PWWP domain containing protein 2A	0.004	0.0092	0.0209
Trypanosoma cruzi	arginine N-methyltransferase, type III	0.0047	0.0139	0.1817
Toxoplasma gondii	hypothetical protein	0.004	0.0092	0.0435
Leishmania major	arginine N-methyltransferase, type II, putative;with=GeneDB:Tb927.10.640	0.0043	0.011	0.0756
Leishmania major	modification methylase-like protein	0.0189	0.1062	1
Trypanosoma brucei	S-adenosylmethionine decarboxylase	0.0108	0.0534	0.4778
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0028	0.0011	0.0025
Trypanosoma cruzi	arginine N-methyltransferase, type I	0.0047	0.0139	0.1817
Echinococcus granulosus	peregrin	0.007	0.0284	0.0646
Echinococcus multilocularis	cpg binding protein	0.014	0.0741	0.1686
Onchocerca volvulus		0.0125	0.0646	0.0705
Echinococcus multilocularis	histone arginine methyltransferase CARMER	0.0165	0.0906	0.206
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0031	0.0033	0.0074
Schistosoma mansoni	hypothetical protein	0.0029	0.0022	0.0051
Echinococcus multilocularis	histone h3 methyltransferase	0.0266	0.1564	0.3557
Plasmodium vivax	protein arginine N-methyltransferase 1, putative	0.0031	0.0033	0.0097
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0078	0.034	0.5992
Trypanosoma brucei	Protein arginine N-methyltransferase 1 catalytic subunit	0.0078	0.034	0.2863
Giardia lamblia	PHD finger protein 15	0.0029	0.0022	0.5
Brugia malayi	Pre-SET motif family protein	0.1271	0.8117	0.8115
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0074	0.0074
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0151	0.0813	0.185
Schistosoma mansoni	hypothetical protein	0.0047	0.0139	0.0315
Echinococcus multilocularis	SET and MYND domain containing protein 3	0.0071	0.0295	0.0672
Trypanosoma cruzi	S-adenosylmethionine decarboxylase proenzyme, putative	0.0108	0.0534	1
Brugia malayi	jmjC domain containing protein	0.0096	0.0459	0.0448
Schistosoma mansoni	hypothetical protein	0.004	0.0092	0.0209
Trypanosoma brucei	arginine N-methyltransferase, type II	0.0043	0.011	0.059
Echinococcus multilocularis	disco interacting protein 2	0.0125	0.0646	0.147
Leishmania major	histone-lysine N-methyltransferase, putative	0.0034	0.0051	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1059	0.1059
Loa Loa (eye worm)	protein arginine N-methyltransferase	0.0047	0.0139	0.0139
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0128	0.0667	0.403
Brugia malayi	Protein arginine N-methyltransferase	0.0047	0.0139	0.0128
Trypanosoma brucei	protein arginine n-methyltransferase 7	0.0047	0.0139	0.0868
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0646	0.0646
Leishmania major	arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490	0.0047	0.0139	0.103
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0063	0.0143
Echinococcus multilocularis	peregrin	0.007	0.0284	0.0646
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.0459	0.1043
Leishmania major	hypothetical protein, conserved	0.004	0.0092	0.0578
Echinococcus granulosus	PWWP domain containing protein 2A	0.004	0.0092	0.0209
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0188	0.1059	0.2409
Echinococcus granulosus	histone arginine methyltransferase CARMER	0.0165	0.0906	0.206
Echinococcus multilocularis	protein arginine N methyltransferase 5	0.0067	0.0267	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0266	0.1564	0.1564
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0047	0.0139	0.012
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0283	0.0283
Toxoplasma gondii	C-5 cytosine-specific DNA methylase superfamily protein	0.0189	0.1062	0.65
Trypanosoma cruzi	MIZ/SP-RING zinc finger, putative	0.004	0.0092	0.0854
Brugia malayi	F/Y-rich N-terminus family protein	0.003	0.0024	0.0013
Echinococcus granulosus	cpg binding protein	0.014	0.0741	0.1686
Trypanosoma cruzi	arginine N-methyltransferase, type II, putative	0.0043	0.011	0.1235
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0092	0.0854
Echinococcus granulosus	disco interacting protein 2	0.0125	0.0646	0.147
Loa Loa (eye worm)	hypothetical protein	0.004	0.0092	0.0092
Echinococcus multilocularis	protein arginine N methyltransferase 8	0.0031	0.0033	0.0074
Trypanosoma cruzi	S-adenosylmethionine decarboxylase proenzyme, putative	0.0108	0.0534	1
Echinococcus granulosus	S adenosylmethionine decarboxylase proenzyme	0.0108	0.0534	0.1215
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0275	0.1622	1
Plasmodium falciparum	histone-lysine N-methyltransferase, putative	0.0083	0.0372	0.2186
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0138	0.073	0.073
Plasmodium vivax	DNA (cytosine-5)-methyltransferase, putative	0.0189	0.1062	1
Echinococcus granulosus	protein arginine N methyltransferase 5	0.0067	0.0267	0.0608
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0022	0.0051
Entamoeba histolytica	arginine N-methyltransferase protein, putative	0.0078	0.034	0.2559
Echinococcus granulosus	histone h3 methyltransferase	0.0266	0.1564	0.3557
Trypanosoma brucei	cytosine-specific DNA methylase, putative	0.0189	0.1062	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0159	0.0159
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0078	0.034	0.5992
Brugia malayi	Disco-interacting protein 2 homolog	0.0125	0.0646	0.0636
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0074	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0022	0.0022
Echinococcus granulosus	hepatoma derived growth factor protein	0.004	0.0092	0.0209
Trichomonas vaginalis	shk1 kinase-binding protein, putative	0.0043	0.011	0.0088
Schistosoma mansoni	cpg binding protein	0.014	0.0741	0.1686
Entamoeba histolytica	Skb1 methyltransferase, putative	0.0067	0.0267	0.1807
Echinococcus granulosus	methyltransferase protein 5	0.0047	0.0139	0.0315
Leishmania major	hypothetical protein, conserved	0.0034	0.0051	0.0177
Brugia malayi	PHD-finger family protein	0.0029	0.0022	0.0012
Brugia malayi	jmjC domain containing protein	0.0037	0.0074	0.0063
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0098	0.0222
Schistosoma mansoni	hypothetical protein	0.0052	0.0173	0.0393
Plasmodium falciparum	protein arginine N-methyltransferase 5, putative	0.0067	0.0267	0.1531
Trypanosoma cruzi	arginine N-methyltransferase, type I	0.0047	0.0139	0.1817
Echinococcus granulosus	histone lysine methyltransferase setb	0.0188	0.1059	0.2409
Schistosoma mansoni	cpg binding protein	0.014	0.0741	0.1686
Brugia malayi	S-adenosylmethionine decarboxylase proenzyme	0.0108	0.0534	0.0524
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0022	0.0051
Schistosoma mansoni	hepatoma derived growth factor	0.004	0.0092	0.0209
Plasmodium falciparum	DNA (cytosine-5)-methyltransferase	0.0189	0.1062	0.65
Loa Loa (eye worm)	hypothetical protein	0.0112	0.056	0.056
Trichomonas vaginalis	shk1 kinase-binding protein, putative	0.0043	0.011	0.0088
Schistosoma mansoni	shk1 kinase-binding protein	0.0067	0.0267	0.0608
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.0074	0.0168
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0031	0.0033	0.0074
Echinococcus granulosus	probable protein arginine n-methyltransferase	0.031	0.1852	0.4214
Echinococcus multilocularis	protein arginine N methyltransferase 7	0.0047	0.0139	0.0315
Echinococcus granulosus	SET and MYND domain containing protein 3	0.0071	0.0295	0.0672
Schistosoma mansoni	SET domain protein	0.0054	0.018	0.0409
Echinococcus multilocularis	PWWP domain containing protein 2A	0.004	0.0092	0.0209
Toxoplasma gondii	hypothetical protein	0.0034	0.0051	0.0177
Toxoplasma gondii	hypothetical protein	0.0275	0.1622	1
Toxoplasma gondii	histone arginine methyltransferase PRMT3	0.0047	0.0139	0.0726
Echinococcus granulosus	PWWP domain containing protein 2A	0.004	0.0092	0.0209
Brugia malayi	hypothetical protein	0.004	0.0092	0.0081
Echinococcus granulosus	geminin	0.0171	0.0945	0.215
Brugia malayi	hypothetical protein	0.0078	0.034	0.033
Loa Loa (eye worm)	Skb1 methyltransferase	0.0067	0.0267	0.0267
Leishmania major	S-adenosylmethionine decarboxylase	0.0108	0.0534	0.487

Activities

Activity type	Activity value	Assay description	Source	Reference
Max response (binding)	= 83 %	Percent maximum response against histamine H2 receptor in guinea pig atrium was evaluated	ChEMBL.	2931524
Potency (functional)	= 6.85	Agonistic activity against histamine H2 receptor in guinea pig atrium (potency relative to histamine =1)	ChEMBL.	2931524

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 43428